Geometry & MOs

Info

ID:

300670

PubChem CID:

123050744

Reduced:

ClNO6H22C27 (1)

Stoich.:

ABC6D22E27 (1)

Weight, g/mol:

515.194402

ΔHf, kcal/mol:

-156.17

Dipole, Da:

12.97

IP(EA), eV:

 -8.8(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-[(3Z)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxo-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-yl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4)OC)OC(=O)C)/O

DOS

IR

Vibrations